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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=Br LS_para_Br_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-10279.0650461; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=Cl LS_para_Cl_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP GEN	-3937.54571598; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=CF3 HS_para_CF3_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-10694.6828620; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCBH3/R2=OH LS_para_OH_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP GEN	-2784.42928563; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=CF3 LS_para_CF3_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-10694.6970226; Eh
	20-Jul-2022	/DFT/R1=OEt/L2=NCSe/R2=Me LS_para_Me_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Minimum	UTPSSh	DEF2TZVP	-9801.14591919; Eh
	20-Jul-2022	/DFT/R1=Et/L2=NCS HS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3598.09026505; Eh
	20-Jul-2022	/DFT/R1=Et/L2=NCS LS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3598.10527636; Eh
	20-Jul-2022	/DFT/R1=H/L2=NCS HS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3519.44998501; Eh
	20-Jul-2022	/DFT/R1=Pr/L2=NCS HS_no_substituted	Navarro, Laia	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	UTPSSh	DEF2TZVP	-3637.42034117; Eh

Results 121-130 of 135 (Search time: 0.002 seconds).